SCHEMBL29530331

SCHEMBL29530331

NCc1ccncc1OCc1cccc(F)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.44
AOC3 Q16853 8/20 0.38
AOC1 P19801 8/20 0.38
KCNH2 Q12809 1/20 0.34
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
MAPT P10636 1/20 0.33
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
KCNA3 P22001 1/20 0.32
MELK Q14680 1/20 0.31
MGAT2 Q10469 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25321760 1.00 LOXL2 (0.44) LOXL2AOC3AOC1KCNH2PDE1A
SCHEMBL25320465 0.83 LOXL2 (0.38) LOXL2AOC3AOC1KCNH2NOS3
SCHEMBL29529877 0.83 LOXL2 (0.38) LOXL2AOC3AOC1KCNH2NOS3
SCHEMBL25319886 0.82 MGAT2 (0.37) LOXL2AOC3AOC1PDE1APDE1B
SCHEMBL25318386 0.78 LOXL2 (0.46) LOXL2AOC3AOC1MELK
SCHEMBL29530430 0.78 AOC3 (0.40) LOXL2AOC3AOC1NOS3NOS1
SCHEMBL25320177 0.78 AOC3 (0.40) LOXL2AOC3AOC1NOS3NOS1
SCHEMBL29102311 0.77 PDE1A (0.38) AOC3AOC1KCNH2PDE1APDE1B
SCHEMBL25319653 0.77 HTT (0.39) KCNH2PDE1APDE1BPDE1C
SCHEMBL25318095 0.77 AOC3 (0.44) LOXL2AOC3AOC1MELK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4217070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Scorpion Therapeutics, Inc. (US) 2023-08-02 EP disclosed
WO-2022066734-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER SCORPION THERAPEUTICS, INC. (US) 2022-03-31 WO disclosed